Geometry & MOs

Info

ID:	44648
PubChem CID:	10505011
Reduced:	SN3O4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	486.298139
ΔH_f, kcal/mol:	-111.53
Dipole, Da:	6.63
IP(EA), eV:	-8.5(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[(2Z,6E,10E)-12,13-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-2,5-dihydroxyphenyl]acetate

Drug info:

PubChemData

Smile

CCN(CC)CC1=C(C(=C2C3=C(CNCC3)SC2=N1)C4=CC(=C(C=C4)OC)OC)C(=O)OCC

DOS

IR

Vibrations